SCHEMBL8549522

SCHEMBL8549522

NC(c1ccc(C=O)cc1)c1ccc(C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.58
▸ CYP2A6 P11509 4/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH5A1 P51649 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ ALDH1A3 P47895 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP2A13 Q16696 1/20 0.41
▸ STS P08842 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ TRIM24 O15164 1/20 0.37
▸ TRIM33 Q9UPN9 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.36
▸ PARP3 Q9Y6F1 1/20 0.36
▸ GRIA4 P48058 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14041203 0.89 TYR (0.48) TYRCYP2A6HSD17B10ALDH5A1ABAT
Hydrochloric Acid SCHEMBL6011759 0.87 HSD17B10 (0.64) TYRCYP2A6HSD17B10ALDH5A1ABAT
Hydrochloric Acid SCHEMBL6011757 0.87 HSD17B10 (0.64) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL29142551 0.84 TYR (0.58) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL12931759 0.80 TYR (0.67) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL13655918 0.80 TYR (0.67) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL13954354 0.80 TYR (0.67) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL1915552 0.78 TYR (0.64) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL11298224 0.77 TYR (0.50) TYRCYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL4956384 0.76 CYP2A6 (0.69) TYRCYP2A6HSD17B10ALDH5A1ABAT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 — — EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 — — US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 — — EP disclosed
US-4966983-A PRESSURE OR HEAT SENSITIVE ELEMENTS BASF AKTIENGESELLSCHAFT (DE) 1990-10-30 — — US disclosed
US-4841050-A Carbazole containing benzopyrans BASF AKTIENGESELLSCHAFT (DE) 1989-06-20 — — US disclosed
EP-0236973-B1 BENZOPYRANES AND THEIR USE IN A RECORDING SYSTEM BASF Aktiengesellschaft (DE) 1989-06-14 — — EP disclosed
EP-0236973-A2 Benzopyranes and their use in a recording system BASF Aktiengesellschaft (DE) 1987-09-16 — — EP disclosed
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